methyl 4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate

Systemtic Name: methyl 4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate Openeye Name: methyl 4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate CAS Name: 4-(3-amino-2-carbamoyl-4-propyl-6-thieno[2,3-b]pyridinyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylate Traditional Name: 4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylic acid methyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCNC(C3)C(=O)OC

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCNC(C3)C(=O)OC

InChI

InChI=1S/C17H23N5O3S/c1-3-4-9-7-11(22-6-5-20-10(8-22)17(24)25-2)21-16-12(9)13(18)14(26-16)15(19)23/h7,10,20H,3-6,8,18H2,1-2H3,(H2,19,23)